2-[[3-[methyl-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]amino]butanoic acid

Systemtic Name: 2-[[3-[methyl-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]amino]butanoic acid Openeye Name: 2-[[2-hydroxy-3-[methyl(p-tolylsulfonyl)amino]propyl]amino]butanoic acid CAS Name: 2-[[2-hydroxy-3-[methyl-(4-methylphenyl)sulfonylamino]propyl]amino]butanoic acid IUPAC Name: 2-[[2-hydroxy-3-[methyl-(4-methylphenyl)sulfonylamino]propyl]amino]butanoic acid Traditional Name: 2-[[2-hydroxy-3-[methyl(tosyl)amino]propyl]amino]butyric acid Formula: C15H24N2O5S MolecularWeight: 344.42646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NCC(CN(C)S(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCC(C(=O)O)NCC(CN(C)S(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C15H24N2O5S/c1-4-14(15(19)20)16-9-12(18)10-17(3)23(21,22)13-7-5-11(2)6-8-13/h5-8,12,14,16,18H,4,9-10H2,1-3H3,(H,19,20)